Glycoside
GD059639
Name:
NoneFormula:
C15H21O6NSSmiles:
CCC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
CCC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.4 | Num_heavy_atoms: | 23 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD29522
Formula: C9H11ONS
Smiles:
CCC(=O)Nc1ccc(S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.26 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
